4-[(4-chloro-N-cyclopropylbutanamido)methyl]phenyl ethanesulfonate
Chemical Structure Depiction of
4-[(4-chloro-N-cyclopropylbutanamido)methyl]phenyl ethanesulfonate
4-[(4-chloro-N-cyclopropylbutanamido)methyl]phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V007-0778 |
| Compound Name: | 4-[(4-chloro-N-cyclopropylbutanamido)methyl]phenyl ethanesulfonate |
| Molecular Weight: | 359.87 |
| Molecular Formula: | C16 H22 Cl N O4 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(C2CC2)C(CCC[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5538 |
| logD: | 2.5538 |
| logSw: | -2.624 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.606 |
| InChI Key: | IYRWQBCIISDJLS-UHFFFAOYSA-N |